N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H14F3N3O — CID 1236040

IUPACN-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCC1
InChIInChI=1S/C11H14F3N3O/c1-17-8(6-9(16-17)11(12,13)14)10(18)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,18)
InChIKeyOSTLCTRPVZSWMN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.11
Rot. Bonds2

About N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 1236040) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID1236040
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCC1
InChIInChI=1S/C11H14F3N3O/c1-17-8(6-9(16-17)11(12,13)14)10(18)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,18)
InChIKeyOSTLCTRPVZSWMN-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 1236040) is N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is OSTLCTRPVZSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17-8(6-9(16-17)11(12,13)14)10(18)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,18).
What are the key properties of N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1236040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).